Vanadium dioxide : A Peierls-Mott insulator stable against disorder

Abstract

Vanadium dioxide undergoes a first order metal-insulator transition at 340 K. In this work, we develop and carry out state of the art linear scaling DFT calculations refined with non-local dynamical mean-field theory. We identify a complex mechanism, a Peierls-assisted orbital selection Mott instability, which is responsible for the insulating M${}_1$ phase, and furthermore survives a moderate degree of disorder.

5 pages, 4 figures. Supplementary material 8 pages, 4 figures. This version (v2) matches that accepted for Physical Review Letters on 16th May 2012

References in corpus (3)

• Orbital-assisted metal-insulator transition in VO${}_2$
• Correlated metallic state of vanadium dioxide
• Role of electron-electron and electron-phonon interaction effect in the optical conductivity of VO2

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• Nanoscale spectroscopic imaging of phase separation in a correlated material by resonant X-ray holography
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• Augmented hybrid exact-diagonalization solver for dynamical mean field theory
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• Cooperative Effects of Strain and Electron Correlation in Epitaxial VO2 and NbO2
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